4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C17H16N8 — CID 75399677

IUPAC4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ncc(-c3ccccc3)[nH]2)ncnc1-n1cccn1
InChIInChI=1S/C17H16N8/c18-15-16(21-11-22-17(15)25-8-4-7-23-25)20-10-14-19-9-13(24-14)12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,24)(H,20,21,22)
InChIKeyFXGZNVSVFOYNDO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.25
Rot. Bonds5

About 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 75399677) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID75399677
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ncc(-c3ccccc3)[nH]2)ncnc1-n1cccn1
InChIInChI=1S/C17H16N8/c18-15-16(21-11-22-17(15)25-8-4-7-23-25)20-10-14-19-9-13(24-14)12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,24)(H,20,21,22)
InChIKeyFXGZNVSVFOYNDO-UHFFFAOYSA-N
XLogP2.25
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 75399677) is 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is Nc1c(NCc2ncc(-c3ccccc3)[nH]2)ncnc1-n1cccn1.
What is the InChIKey of 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is FXGZNVSVFOYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c18-15-16(21-11-22-17(15)25-8-4-7-23-25)20-10-14-19-9-13(24-14)12-5-2-1-3-6-12/h1-9,11H,10,18H2,(H,19,24)(H,20,21,22).
What are the key properties of 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 332.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 75399677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).